An understanding of hydrogen embrittlement in nickel grain boundaries from first principles

Here, the segregation and accumulation of hydrogen in Ni grain boundaries, and its effects on cohesion and tensile mechanical strength were studied by means of density functional theory simulations. Three model grain boundaries were considered: the Σ3(11¯1)[110], Σ5(120)[001] and Σ11(11¯0)[113], as...

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Bibliographic Details
Main Authors: Han Lin Mai, Xiang-Yuan Cui, Daniel Scheiber, Lorenz Romaner, Simon P. Ringer
Format: article
Language:EN
Published: Elsevier 2021
Subjects:
Online Access:https://doaj.org/article/7da005ee6fda4171b1d0cbdd7a59dabe
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